N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C26H36N4O5 — CID 130188195

IUPACN-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(C)OCC(NC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C26H36N4O5/c1-16(2)34-15-23(28-25(32)22-14-24(35-29-22)19-5-6-19)18-9-11-30(12-10-18)26(33)21(27)13-17-3-7-20(31)8-4-17/h3-4,7-8,14,16,18-19,21,23,31H,5-6,9-13,15,27H2,1-2H3,(H,28,32)/t21-,23?/m0/s1
InChIKeyALUFTSPZQVKRNH-BBQAJUCSSA-N
MW484.60 g/mol
LogP2.59
Rot. Bonds10

About N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130188195) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130188195
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC NameN-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(C)OCC(NC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C26H36N4O5/c1-16(2)34-15-23(28-25(32)22-14-24(35-29-22)19-5-6-19)18-9-11-30(12-10-18)26(33)21(27)13-17-3-7-20(31)8-4-17/h3-4,7-8,14,16,18-19,21,23,31H,5-6,9-13,15,27H2,1-2H3,(H,28,32)/t21-,23?/m0/s1
InChIKeyALUFTSPZQVKRNH-BBQAJUCSSA-N
XLogP2.59
TPSA130.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130188195) is N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is CC(C)OCC(NC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1.
What is the InChIKey of N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is ALUFTSPZQVKRNH-BBQAJUCSSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-16(2)34-15-23(28-25(32)22-14-24(35-29-22)19-5-6-19)18-9-11-30(12-10-18)26(33)21(27)13-17-3-7-20(31)8-4-17/h3-4,7-8,14,16,18-19,21,23,31H,5-6,9-13,15,27H2,1-2H3,(H,28,32)/t21-,23?/m0/s1.
What are the key properties of N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).